1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride

C19H26Cl4N2O2 — CID 17295476

IUPAC1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1cc(Cl)ccc1OCc1ccccc1Cl.Cl.Cl
InChIInChI=1S/C19H24Cl2N2O2.2ClH/c1-14(24)11-22-8-9-23-12-16-10-17(20)6-7-19(16)25-13-15-4-2-3-5-18(15)21;;/h2-7,10,14,22-24H,8-9,11-13H2,1H3;2*1H
InChIKeyATRASNQCUQQGBP-UHFFFAOYSA-N
MW456.24 g/mol
LogP4.48
Rot. Bonds10

About 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride

1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride (PubChem CID 17295476) has the molecular formula C19H26Cl4N2O2 and a molecular weight of 456.24 g/mol. Its IUPAC name is 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
PubChem CID17295476
Molecular FormulaC19H26Cl4N2O2
Molecular Weight456.24 g/mol
Exact Mass454.07
IUPAC Name1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1cc(Cl)ccc1OCc1ccccc1Cl.Cl.Cl
InChIInChI=1S/C19H24Cl2N2O2.2ClH/c1-14(24)11-22-8-9-23-12-16-10-17(20)6-7-19(16)25-13-15-4-2-3-5-18(15)21;;/h2-7,10,14,22-24H,8-9,11-13H2,1H3;2*1H
InChIKeyATRASNQCUQQGBP-UHFFFAOYSA-N
XLogP4.48
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.24
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211228
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715547
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291343
(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761543
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride (CID 17295476) is 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride is CC(O)CNCCNCc1cc(Cl)ccc1OCc1ccccc1Cl.Cl.Cl.
What is the InChIKey of 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The InChIKey is ATRASNQCUQQGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2.2ClH/c1-14(24)11-22-8-9-23-12-16-10-17(20)6-7-19(16)25-13-15-4-2-3-5-18(15)21;;/h2-7,10,14,22-24H,8-9,11-13H2,1H3;2*1H.
What are the key properties of 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride has a molecular weight of 456.24 g/mol, XLogP of 4.48, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride is sourced from PubChem (CID 17295476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).